| FRIDRICHOVÁ, Jana, Peter BAČÍK, Valeria BIZOVSKA, Eugen LIBOWITZKY, Radek ŠKODA, Pavel UHER, Daniel OZDÍN and Martin ŠTEVKO. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia. Physics and Chemistry of Minerals. NEW YORK: SPRINGER, 2016, vol. 43, No 6, p. 419-437. ISSN 0342-1791. Available from: https://dx.doi.org/10.1007/s00269-016-0806-9. |
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@article{1374378,
author = {Fridrichová, Jana and Bačík, Peter and Bizovska, Valeria and Libowitzky, Eugen and Škoda, Radek and Uher, Pavel and Ozdín, Daniel and Števko, Martin},
article_location = {NEW YORK},
article_number = {6},
doi = {http://dx.doi.org/10.1007/s00269-016-0806-9},
keywords = {Beryl; Infrared spectroscopy; Raman spectroscopy; Thermal analysis; Bond topology},
language = {eng},
issn = {0342-1791},
journal = {Physics and Chemistry of Minerals},
title = {Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia},
volume = {43},
year = {2016}
}
TY - JOUR
ID - 1374378
AU - Fridrichová, Jana - Bačík, Peter - Bizovska, Valeria - Libowitzky, Eugen - Škoda, Radek - Uher, Pavel - Ozdín, Daniel - Števko, Martin
PY - 2016
TI - Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia
JF - Physics and Chemistry of Minerals
VL - 43
IS - 6
SP - 419-437
EP - 419-437
PB - SPRINGER
SN - 03421791
KW - Beryl
KW - Infrared spectroscopy
KW - Raman spectroscopy
KW - Thermal analysis
KW - Bond topology
N2 - Nine beryl samples from Western Carpathians, Slovakia, were investigated by infrared and Raman spectroscopy and differential thermal analysis. Two types of water H2O I and H2O II were detected. Infrared spectroscopy proved the presence of water type I and II in the presence of alkali cations with several bands: (1) symmetric stretching vibration-nu(1); (2) antisymmetric stretching mode-nu(3); (3) bending vibration-nu(2). The presence of singly and doubly coordinated type II water (IIs and IId) was confirmed by single-crystal IR spectroscopy. From Raman spectra a band at 3606 cm(-1) was assigned to nu(1) of water type I and the range of 3597-3600 cm(-1) to water type II. The presence of doubly coordinating water indicates a relatively highly hydrated environment with the presence of alkali ions including Na as the dominant cation coordinated by H2O II. CO2 bands were detected only by single-crystal IR spectroscopy. Thermal analysis proved total water loss in the range of 1.4-2.0 wt% and three main dehydration events. Based on the study of bond-topological arrangements two molecules of H2O IId are each bound with two H center dot center dot center dot O1 bonds and one Na-O-W bond with an angular distortion, and by releasing one H2O molecule more stable H2O IIs is produced. The H2O I molecule is bound only by two equivalent hydrogen bonds. The H2O IIs molecule with a Na-O-W bond strength of 0.28 vu and two H center dot center dot center dot O1 bonds of 0.14 vu without any forced angular distortion is the most stable of all.
ER -
FRIDRICHOVÁ, Jana, Peter BAČÍK, Valeria BIZOVSKA, Eugen LIBOWITZKY, Radek ŠKODA, Pavel UHER, Daniel OZDÍN and Martin ŠTEVKO. Spectroscopic and bond-topological investigation of interstitial volatiles in beryl from Slovakia. \textit{Physics and Chemistry of Minerals}. NEW YORK: SPRINGER, 2016, vol.~43, No~6, p.~419-437. ISSN~0342-1791. Available from: https://dx.doi.org/10.1007/s00269-016-0806-9.
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